2-[4-(phenylmethoxymethoxy)phenyl]acetic acid

C16H16O4 — CID 102939339

IUPAC2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCOCc2ccccc2)cc1
InChIInChI=1S/C16H16O4/c17-16(18)10-13-6-8-15(9-7-13)20-12-19-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,17,18)
InChIKeyUTYKTPABPKETGK-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.87
Rot. Bonds7

About 2-[4-(phenylmethoxymethoxy)phenyl]acetic acid

2-[4-(phenylmethoxymethoxy)phenyl]acetic acid (PubChem CID 102939339) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[4-(phenylmethoxymethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
PubChem CID102939339
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCOCc2ccccc2)cc1
InChIInChI=1S/C16H16O4/c17-16(18)10-13-6-8-15(9-7-13)20-12-19-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,17,18)
InChIKeyUTYKTPABPKETGK-UHFFFAOYSA-N
XLogP2.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[4-(phenylmethoxymethoxy)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
4-(phenylmethoxymethoxy)benzoic acid
CID 102939337
1-[4-(phenylmethoxymethoxy)phenyl]propan-2-ol
CID 102939869
3-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 143233810
2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
CID 563772
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
2-[[4-(carboxymethyl)phenoxy]methyl]benzoic acid;methane
CID 21269133
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983

Frequently Asked Questions

What is the IUPAC name of 2-[4-(phenylmethoxymethoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(phenylmethoxymethoxy)phenyl]acetic acid (CID 102939339) is 2-[4-(phenylmethoxymethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(phenylmethoxymethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(phenylmethoxymethoxy)phenyl]acetic acid is O=C(O)Cc1ccc(OCOCc2ccccc2)cc1.
What is the InChIKey of 2-[4-(phenylmethoxymethoxy)phenyl]acetic acid?
The InChIKey is UTYKTPABPKETGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c17-16(18)10-13-6-8-15(9-7-13)20-12-19-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,17,18).
What are the key properties of 2-[4-(phenylmethoxymethoxy)phenyl]acetic acid?
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phenylmethoxymethoxy)phenyl]acetic acid is sourced from PubChem (CID 102939339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).